HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=658",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=656",
"results": [
{
"id": "jvasp-51076",
"created_at": "2022-09-04T14:38:34.310883Z",
"updated_at": "2022-09-04T14:38:34.310899Z",
"structure_string": "In4 S4\n1.0\n0.000000 4.003871 0.072646\n10.826488 0.000000 0.000000\n0.000000 -3.920567 -4.560905\nIn S\n4 4\ndirect\n0.880729 0.120017 0.880902 In\n0.880729 0.379983 0.380902 In\n0.119270 0.879983 0.119098 In\n0.119270 0.620017 0.619099 In\n0.981684 0.651702 -0.018296 S\n0.018315 0.151702 0.518296 S\n0.018314 0.348299 0.018296 S\n0.981685 0.848299 0.481704 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"In",
"S"
],
"chemical_system": "In-S",
"density": 5.012897320448182,
"density_atomic": 0.04110533321023977,
"volume": 194.62194745102116,
"volume_molar": 14.650509531692158,
"formula_full": "In4 S4",
"formula_reduced": "InS",
"formula_anonymous": "AB",
"energy_above_hull": 0.1790599849999999,
"spacegroup": 58
},
{
"id": "jvasp-51622",
"created_at": "2022-09-04T14:38:34.309986Z",
"updated_at": "2022-09-04T14:38:34.310011Z",
"structure_string": "Si3 O6\n1.0\n2.285250 -3.958168 0.000000\n2.285250 3.958168 -0.000000\n0.000000 -0.000000 6.773493\nSi O\n3 6\ndirect\n0.915155 -0.000000 0.666667 Si\n0.084845 0.084845 0.000000 Si\n-0.000000 0.915155 0.333333 Si\n0.119014 0.462566 0.921019 O\n0.537434 0.656448 0.587686 O\n0.462566 0.119014 0.078981 O\n0.343552 0.880986 0.254353 O\n0.880986 0.343552 0.745646 O\n0.656448 0.537434 0.412314 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.4426471449415086,
"density_atomic": 0.07344663217645875,
"volume": 122.53795352218609,
"volume_molar": 8.19934227281047,
"formula_full": "Si3 O6",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.150988533333334,
"spacegroup": 154
},
{
"id": "jvasp-57685",
"created_at": "2022-09-04T14:38:34.309524Z",
"updated_at": "2022-09-04T14:38:34.309547Z",
"structure_string": "Cu4 Se8\n1.0\n6.180998 0.000000 0.000000\n-0.000000 6.180998 0.000000\n0.000000 0.000000 6.180998\nCu Se\n4 8\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.388991 0.388991 0.388991 Se\n0.111009 0.611009 0.888991 Se\n0.888991 0.111009 0.611009 Se\n0.611009 0.888991 0.111009 Se\n0.611009 0.611009 0.611009 Se\n0.888991 0.388991 0.111009 Se\n0.111009 0.888991 0.388991 Se\n0.388991 0.111009 0.888991 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cu",
"Se"
],
"chemical_system": "Cu-Se",
"density": 6.229315699530872,
"density_atomic": 0.05081658041507511,
"volume": 236.14339851250816,
"volume_molar": 11.850739878225822,
"formula_full": "Cu4 Se8",
"formula_reduced": "CuSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6633657277777778,
"spacegroup": 205
},
{
"id": "jvasp-44636",
"created_at": "2022-09-04T14:38:34.307182Z",
"updated_at": "2022-09-04T14:38:34.307210Z",
"structure_string": "Ti2 Mn6 O16\n1.0\n2.853628 -4.942630 -0.000000\n2.853628 4.942630 -0.000000\n-0.000000 0.000000 8.967880\nTi Mn O\n2 6 16\ndirect\n0.666667 0.333333 0.504722 Ti\n0.333333 0.666667 0.004722 Ti\n0.335894 0.167947 0.786684 Mn\n0.832054 0.664106 0.786684 Mn\n0.832054 0.167947 0.786684 Mn\n0.167947 0.832054 0.286684 Mn\n0.167947 0.335894 0.286684 Mn\n0.664106 0.832054 0.286684 Mn\n0.165259 0.330518 0.899441 O\n0.333333 0.666667 0.397228 O\n0.481102 0.962204 0.166442 O\n0.037796 0.518898 0.166442 O\n0.834741 0.165259 0.399441 O\n0.165259 0.834741 0.899441 O\n0.962204 0.481102 0.666442 O\n0.000000 0.000000 0.682508 O\n0.834741 0.669482 0.399441 O\n0.000000 0.000000 0.182508 O\n0.481102 0.518898 0.166442 O\n0.666667 0.333333 0.897228 O\n0.518898 0.481102 0.666442 O\n0.330518 0.165259 0.399441 O\n0.518898 0.037796 0.666442 O\n0.669482 0.834741 0.899441 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.472453326749668,
"density_atomic": 0.09487155068352313,
"volume": 252.97362409580825,
"volume_molar": 6.347678220301187,
"formula_full": "Ti2 Mn6 O16",
"formula_reduced": "TiMn3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.4656890047892723,
"spacegroup": 186
},
{
"id": "jvasp-21666",
"created_at": "2022-09-04T14:38:34.303471Z",
"updated_at": "2022-09-04T14:38:34.303487Z",
"structure_string": "Pr2 B6 O12\n1.0\n5.694493 -0.017501 2.939882\n-0.164892 5.692132 2.939882\n-0.009754 -0.010009 6.409601\nPr B O\n2 6 12\ndirect\n0.697943 0.302057 0.749999 Pr\n0.302057 0.697943 0.250000 Pr\n0.157567 0.292309 0.915921 B\n0.707691 0.842433 0.584078 B\n0.279058 0.720943 0.749999 B\n0.292309 0.157567 0.415921 B\n0.842433 0.707691 0.084078 B\n0.720943 0.279057 0.250000 B\n0.712937 0.887131 0.002234 O\n0.112869 0.287063 0.497765 O\n0.718169 0.493965 0.286828 O\n0.281832 0.506035 0.713171 O\n0.493966 0.718169 0.786828 O\n0.709936 0.085594 0.491716 O\n0.914405 0.290064 0.008283 O\n0.290064 0.914406 0.508283 O\n0.085595 0.709936 0.991716 O\n0.887131 0.712937 0.502234 O\n0.287064 0.112869 0.997765 O\n0.506035 0.281831 0.213171 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"B",
"O"
],
"chemical_system": "B-O-Pr",
"density": 4.2988340762304,
"density_atomic": 0.09611816836892825,
"volume": 208.0772068318493,
"volume_molar": 6.265351142445152,
"formula_full": "Pr2 B6 O12",
"formula_reduced": "Pr(BO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.25107086,
"spacegroup": 15
},
{
"id": "jvasp-20986",
"created_at": "2022-09-04T14:38:34.303344Z",
"updated_at": "2022-09-04T14:38:34.303355Z",
"structure_string": "Pr2 P24 Ru8\n1.0\n8.145011 -0.000000 0.000000\n-0.000000 8.145011 -0.000000\n0.000000 0.000000 8.145011\nPr P Ru\n2 24 8\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.643772 0.500000 0.857239 P\n0.500000 0.857239 0.643772 P\n0.000000 0.642761 0.143777 P\n0.000000 0.357238 0.856223 P\n0.000000 0.642761 0.856223 P\n0.357238 0.856223 0.000000 P\n0.856223 0.000000 0.642761 P\n0.856223 0.000000 0.357238 P\n0.642761 0.143777 0.000000 P\n0.642761 0.856223 0.000000 P\n0.357238 0.143777 0.000000 P\n0.143777 0.000000 0.642761 P\n0.000000 0.357238 0.143777 P\n0.500000 0.142761 0.643772 P\n0.500000 0.857239 0.356228 P\n0.143777 0.000000 0.357238 P\n0.857239 0.356228 0.500000 P\n0.356228 0.500000 0.142761 P\n0.500000 0.142761 0.356228 P\n0.142761 0.643772 0.500000 P\n0.643772 0.500000 0.142761 P\n0.142761 0.356228 0.500000 P\n0.857239 0.643772 0.500000 P\n0.356228 0.500000 0.857239 P\n0.749998 0.749998 0.250002 Ru\n0.250002 0.749998 0.250002 Ru\n0.749998 0.250002 0.250002 Ru\n0.250002 0.250002 0.749998 Ru\n0.749998 0.749998 0.749998 Ru\n0.749998 0.250002 0.749998 Ru\n0.250002 0.749998 0.749998 Ru\n0.250002 0.250002 0.250002 Ru\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Pr",
"P",
"Ru"
],
"chemical_system": "P-Pr-Ru",
"density": 5.635249561684105,
"density_atomic": 0.06292219894667306,
"volume": 540.3498378817817,
"volume_molar": 9.570772892256675,
"formula_full": "Pr2 P24 Ru8",
"formula_reduced": "Pr(P3Ru)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 4.044640461764706,
"spacegroup": 204
},
{
"id": "jvasp-46711",
"created_at": "2022-09-04T14:38:34.297124Z",
"updated_at": "2022-09-04T14:38:34.297138Z",
"structure_string": "Li2 Mn2 P4 O16\n1.0\n-4.578554 0.000000 0.000000\n-2.289277 4.369061 -0.127696\n0.000000 -1.773871 -13.197176\nLi Mn P O\n2 2 4 16\ndirect\n0.943849 0.000000 0.750000 Li\n0.056150 0.000000 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.685204 0.677262 0.115180 P\n0.637534 0.677262 0.615181 P\n0.362465 0.322738 0.384820 P\n0.314796 0.322738 0.884820 P\n0.220578 0.215804 0.470935 O\n0.038360 0.656239 0.919883 O\n0.305402 0.656239 0.419883 O\n0.563618 0.215804 0.970935 O\n0.478744 0.306627 0.785351 O\n0.746959 0.118063 0.380322 O\n0.253040 0.881937 0.619678 O\n0.961639 0.343761 0.080118 O\n0.436382 0.784196 0.029066 O\n0.694598 0.343761 0.580118 O\n0.214628 0.306627 0.285350 O\n0.779422 0.784196 0.529066 O\n0.785372 0.693373 0.714650 O\n0.865023 0.881937 0.119678 O\n0.521256 0.693373 0.214650 O\n0.134977 0.118064 0.880322 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.1555285159058015,
"density_atomic": 0.09055469815977193,
"volume": 265.0331842270087,
"volume_molar": 6.6502797561919085,
"formula_full": "Li2 Mn2 P4 O16",
"formula_reduced": "LiMn(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.8998380201149425,
"spacegroup": 15
},
{
"id": "jvasp-30832",
"created_at": "2022-09-04T14:38:34.295892Z",
"updated_at": "2022-09-04T14:38:34.295926Z",
"structure_string": "Be17 Nb2\n1.0\n5.527251 -0.010359 0.682543\n0.602180 5.494359 0.682543\n-0.011578 -0.010359 5.569222\nBe Nb\n17 2\ndirect\n0.401263 0.401263 0.401262 Be\n0.846445 0.846445 0.339006 Be\n0.846445 0.339006 0.846445 Be\n0.339006 0.846445 0.846445 Be\n0.660993 0.153554 0.153554 Be\n0.153554 0.153554 0.660993 Be\n0.153554 0.660993 0.153554 Be\n0.500000 0.793639 0.206360 Be\n0.793639 0.206361 0.499999 Be\n0.500000 0.206361 0.793638 Be\n0.206361 0.793639 0.499999 Be\n0.793639 0.500000 0.206360 Be\n0.500000 -0.000000 0.500000 Be\n-0.000000 0.500000 0.500000 Be\n0.500000 0.500000 -0.000001 Be\n0.598737 0.598737 0.598736 Be\n0.206361 0.500000 0.793638 Be\n0.160081 0.160081 0.160081 Nb\n0.839919 0.839919 0.839918 Nb\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Be",
"Nb"
],
"chemical_system": "Be-Nb",
"density": 3.3263140444669794,
"density_atomic": 0.11226454498404773,
"volume": 169.24310344552515,
"volume_molar": 5.364241008464177,
"formula_full": "Be17 Nb2",
"formula_reduced": "Be17Nb2",
"formula_anonymous": "A2B17",
"energy_above_hull": 2.793000657894737,
"spacegroup": 166
},
{
"id": "jvasp-116870",
"created_at": "2022-09-04T14:38:34.295413Z",
"updated_at": "2022-09-04T14:38:34.295441Z",
"structure_string": "Li4 Cr4 Co2 O12\n1.0\n2.811229 0.004797 -0.615445\n-0.645231 11.204859 -2.865829\n-0.046701 -0.022104 6.516745\nLi Cr Co O\n4 4 2 12\ndirect\n0.015785 0.262027 0.031113 Li\n0.015592 0.762041 0.031143 Li\n0.317563 0.071303 0.635551 Li\n0.317738 0.571299 0.635530 Li\n0.006291 0.001185 0.012656 Cr\n0.327011 0.832149 0.654020 Cr\n0.006325 0.501185 0.012648 Cr\n0.327038 0.332149 0.654010 Cr\n0.666679 0.666667 0.333332 Co\n0.666674 0.166667 0.333334 Co\n0.843569 0.950881 0.687256 O\n0.843615 0.450880 0.687244 O\n0.160660 0.555834 0.321191 O\n0.160652 0.055833 0.321198 O\n0.172704 0.777502 0.345476 O\n0.508485 0.118624 0.017126 O\n0.824815 0.714710 0.649540 O\n0.824847 0.214709 0.649540 O\n0.508525 0.618625 0.017127 O\n0.489763 0.382454 0.979412 O\n0.172689 0.277499 0.345466 O\n0.489714 0.882455 0.979424 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.424151982989375,
"density_atomic": 0.10742941678594531,
"volume": 204.78562258078085,
"volume_molar": 5.605672021844077,
"formula_full": "Li4 Cr4 Co2 O12",
"formula_reduced": "Li2Cr2CoO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.977301518181818,
"spacegroup": 12
},
{
"id": "jvasp-21113",
"created_at": "2022-09-04T14:38:34.295129Z",
"updated_at": "2022-09-04T14:38:34.295155Z",
"structure_string": "Li4 Si4 N4 O4\n1.0\n4.785311 0.000000 0.000000\n0.000000 5.219618 0.000000\n0.000000 0.000000 6.365193\nLi Si N O\n4 4 4 4\ndirect\n0.997214 0.598415 0.387796 Li\n0.497214 0.401585 0.612203 Li\n0.497214 0.901585 0.387796 Li\n0.997214 0.098415 0.612203 Li\n0.511268 0.419579 0.121719 Si\n0.511268 0.919579 0.878281 Si\n0.011268 0.080421 0.121719 Si\n0.011268 0.580421 0.878281 Si\n0.147119 0.391523 0.086769 N\n0.647118 0.608477 0.913231 N\n0.647118 0.108477 0.086769 N\n0.147119 0.891523 0.913231 N\n0.594399 0.042374 0.653647 O\n0.094399 0.457626 0.653647 O\n0.094399 0.957626 0.346353 O\n0.594399 0.542374 0.346353 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Si",
"N",
"O"
],
"chemical_system": "Li-N-O-Si",
"density": 2.7169380844610265,
"density_atomic": 0.10063742545420822,
"volume": 158.98657907619346,
"volume_molar": 5.983997238423174,
"formula_full": "Li4 Si4 N4 O4",
"formula_reduced": "LiSiNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.3421788375,
"spacegroup": 29
},
{
"id": "jvasp-26881",
"created_at": "2022-09-04T14:38:34.294723Z",
"updated_at": "2022-09-04T14:38:34.294752Z",
"structure_string": "Zr2 Ni8 P4\n1.0\n6.966104 0.000000 0.000000\n0.000000 6.966104 0.000000\n0.000000 0.000000 3.593084\nZr Ni P\n2 8 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.334005 0.083936 0.000000 Ni\n0.583936 0.165995 0.500000 Ni\n0.416063 0.834004 0.500000 Ni\n0.665995 0.916063 0.000000 Ni\n0.165995 0.583936 0.500000 Ni\n0.834004 0.416063 0.500000 Ni\n0.083936 0.334005 0.000000 Ni\n0.916063 0.665995 0.000000 Ni\n0.780693 0.219307 0.000000 P\n0.719307 0.719307 0.500000 P\n0.280693 0.280693 0.500000 P\n0.219307 0.780693 0.000000 P\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"P"
],
"chemical_system": "Ni-P-Zr",
"density": 7.389279814319438,
"density_atomic": 0.0802935680680586,
"volume": 174.36016777998074,
"volume_molar": 7.500153380773291,
"formula_full": "Zr2 Ni8 P4",
"formula_reduced": "Zr(Ni2P)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.2378550142857145,
"spacegroup": 136
},
{
"id": "jvasp-59139",
"created_at": "2022-09-04T14:38:34.288282Z",
"updated_at": "2022-09-04T14:38:34.288311Z",
"structure_string": "Tb4 Sc4 O12\n1.0\n5.455878 -0.000000 0.000000\n0.000000 5.757651 0.000000\n0.000000 0.000000 7.940728\nTb Sc O\n4 4 12\ndirect\n0.980612 0.063676 0.750000 Tb\n0.480612 0.436324 0.250000 Tb\n0.519388 0.563676 0.750000 Tb\n0.019388 0.936324 0.250000 Tb\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.372732 0.946293 0.750000 O\n0.872733 0.553706 0.250000 O\n0.690759 0.306100 0.933833 O\n0.190758 0.193900 0.066167 O\n0.809242 0.806100 0.566167 O\n0.190758 0.193900 0.433833 O\n0.309242 0.693900 0.066167 O\n0.809242 0.806100 0.933833 O\n0.627268 0.053706 0.250000 O\n0.690759 0.306100 0.566167 O\n0.309242 0.693900 0.433833 O\n0.127268 0.446293 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Sc",
"O"
],
"chemical_system": "O-Sc-Tb",
"density": 6.7070499198516735,
"density_atomic": 0.08017882521055189,
"volume": 249.44241758942496,
"volume_molar": 7.510886751191085,
"formula_full": "Tb4 Sc4 O12",
"formula_reduced": "TbScO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6352788299999996,
"spacegroup": 62
}
]
}